[2-oxidanylidene-2-(phenethylamino)ethyl] 3-(methylsulfonylmethyl)benzoate

Systemtic Name: [2-oxidanylidene-2-(phenethylamino)ethyl] 3-(methylsulfonylmethyl)benzoate Openeye Name: [2-oxo-2-(phenethylamino)ethyl] 3-(methylsulfonylmethyl)benzoate CAS Name: 3-(methylsulfonylmethyl)benzoic acid [2-oxo-2-(phenethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(phenethylamino)ethyl] 3-(methylsulfonylmethyl)benzoate Traditional Name: 3-(mesylmethyl)benzoic acid [2-keto-2-(phenethylamino)ethyl] ester Formula: C19H21NO5S MolecularWeight: 375.43874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CC1=CC=CC(=C1)C(=O)OCC(=O)NCCC2=CC=CC=C2

Isomeric SMILES

CS(=O)(=O)CC1=CC=CC(=C1)C(=O)OCC(=O)NCCC2=CC=CC=C2

InChI

InChI=1S/C19H21NO5S/c1-26(23,24)14-16-8-5-9-17(12-16)19(22)25-13-18(21)20-11-10-15-6-3-2-4-7-15/h2-9,12H,10-11,13-14H2,1H3,(H,20,21)